SCHEMBL7824801

SCHEMBL7824801

NS(=O)(=O)c1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.55
CA1 P00915 7/20 0.55
CA9 Q16790 6/20 0.55
CA12 O43570 5/20 0.55
CA14 Q9ULX7 3/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
KDM4E B2RXH2 3/20 0.52
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27530309 0.86 ALDH1A1 (0.57) CA2CA1CA9CA12CA14
SCHEMBL3527141 0.86 ALDH1A1 (0.70) CA2CA1CA9CA12CA14
SCHEMBL31203331 0.84 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL344115 0.84 KDM4E (0.63) CA2CA1CA9CA12CA14
SCHEMBL16790377 0.84 HSD17B10 (0.59) CA2CA1CA9CA12CA14
SCHEMBL24478046 0.84 CA2 (0.55) CA2CA1CA9CA12CA14
SCHEMBL7538066 0.84 CA2 (0.53) CA2CA1CA9CA12CA14
SCHEMBL1462829 0.84 CA2 (0.60) CA2CA1CA9CA12CA14
SCHEMBL1397921 0.83 APEX1 (0.67) CYP2C19KDM4EGAAMEN1MAPT
SCHEMBL29364883 0.83 APEX1 (0.67) CYP2C19KDM4EGAAMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
CN-105219161-B Manufacture method, self-dispersed pigment, ink, print cartridge and the ink jet recording method of self-dispersed pigment 佳能株式会社 2018-04-17 CN disclosed
US-9403989-B2 Production process for self-dispersible pigment, self-dispersible pigment, ink, ink cartridge and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2016-08-02 US disclosed
CN-105219161-A From the manufacture method of dispersed color, from dispersed color, ink, print cartridge and ink jet recording method CANON KK 2016-01-06 CN disclosed
US-20150376416-A1 PRODUCTION PROCESS FOR SELF-DISPERSIBLE PIGMENT, SELF-DISPERSIBLE PIGMENT, INK, INK CARTRIDGE AND INK JET RECORDING METHOD CANON KABUSHIKI KAISHA (JP) 2015-12-31 US disclosed
US-20130012697-A1 METHOD OF PRODUCING A METAL PHTHALOCYANINE COMPOUND, AND METHOD OF PRODUCING A PHTHALOCYANINE COMPOUND AND AN ANALOGUE THEREOF FUJIFILM CORPORATION (JP) 2013-01-10 US disclosed
EP-0780444-B1 Process to manufacture polycyclic compounds BAYER AG (DE) 2001-09-05 EP disclosed
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
EP-0780444-A2 Process to manufacture polycyclic compounds BAYER AG (DE) 1997-06-25 EP disclosed
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
EP-0639624-A1 Phthaloperinone dyestuffs BAYER AG (DE) 1995-02-22 EP disclosed